SCHEMBL940220

SCHEMBL940220

CN(Cc1nc2cccc(C(=O)O)c2[nH]1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.40
TRPM8 Q7Z2W7 11/20 0.40
KDM4C Q9H3R0 1/20 0.38
RUNX1 Q01196 1/20 0.38
KDM4A O75164 2/20 0.38
KDM5A P29375 2/20 0.38
CNR2 P34972 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
USP2 O75604 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL939201 0.92 CNR2 (0.38) DHODHTRPM8CNR2USP2
SCHEMBL11947897 0.90 DYRK1A (0.41) KDM4CKDM4AKDM5ACNR2EGLN1
SCHEMBL11947875 0.84 BDKRB1 (0.40) CNR2USP2
SCHEMBL940219 0.81 DHODH (0.40) DHODHTRPM8KDM4CRUNX1KDM4A
SCHEMBL940059 0.79 KDM4A (0.37) KDM4AKDM5AUSP2
SCHEMBL11947899 0.79 KDM5B (0.38) DHODHKDM4CKDM4AKDM5AUSP2
SCHEMBL938603 0.78 KMT2A (0.41) TRPM8USP2
SCHEMBL938977 0.76 C1R (0.36) KDM4CKDM4AKDM5A
SCHEMBL941264 0.76 KDM4C (0.41) KDM4CKDM4AKDM5AUSP2
SCHEMBL940167 0.75 C1R (0.45) USP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440542-B1 Substituted benzimidazoles, benzonthiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2013-12-18 EP disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 DHODH 3459/4885TRPM8 226/4885KDM4C 3227/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.